articleJournal of Physics Condensed MatterMar 8, 2002GREEN OA

The SIESTA method for ab initio order- N materials simulation

JMJosé M. SolerEAEmilio ArtachoJDJulian D. GaleAGAlberto Garcı́aJJJavier Junquera

Universidad Autónoma de Madrid · University of Cambridge · +5 more institutions

Indexed inarxivcrossref

Abstract

35 pages, 8 figures.-- Printed version published on Mar 25, 2002.-- ArXiv pre-print available at: http://arxiv.org/abs/cond-mat/0111138

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Topics & keywords

Topics
Keywords
  • Linear combination of atomic orbitals
  • Basis set
  • Wannier function
  • Wave function
  • SIESTA (computer program)
  • Basis function
  • Density functional theory
  • Statistical physics
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